ORCA 6.0.0 ?

[johnwkeller54]

Is censo 2.1.3 compatible with orca-6.0.0? censo 2.1.3 runs fine with orca-5.0.4. Also, the censo user can run standalone orca-6 jobs with the command $ /pathtoorca-6/orca input.inp > output.out.
.censo2rc has been edited with orcapath = /pathtoorca-6/orca and orca version = 6.0.0.

The file 2_OPTIMIZATION/CONF1/xtb_opt for the failed job output had the following as the last 5 lines:
########################################################################
[ERROR] Program stopped due to fatal error
-2- Could not setup single-point calculator
-1- extern_orca_checkOrca: Executable '/usr/local/orca-6.0.0/orca' is in the system path, is this the GNOME screen reader?
########################################################################

[lmseidler]

This seems to me like an ORCA problem. If other orca calculations run without any issues this might be related to the usage of the ANCOPT optimizer. However I didn't observe any problems with orca 6.0 on our system.